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Title: Materials Data on NaHo4Ge2O11 by Materials Project

Abstract

NaHo4Ge2O11 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.43–2.75 Å. There are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Ho–O bond distances ranging from 2.21–2.57 Å. In the second Ho site, Ho is bonded to seven O atoms to form distorted HoO7 pentagonal bipyramids that share a cornercorner with one HoO7 pentagonal bipyramid, corners with three equivalent GeO4 tetrahedra, edges with two equivalent HoO7 pentagonal bipyramids, and an edgeedge with one GeO4 tetrahedra. There are a spread of Ho–O bond distances ranging from 2.24–2.50 Å. Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with three equivalent HoO7 pentagonal bipyramids and an edgeedge with one HoO7 pentagonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.74–1.80 Å. There are six inequivalent O sites. In the first O site, O is bonded to three equivalent Ho and one Ge atom to form distorted OHo3Ge trigonal pyramids that share corners withmore » seven OHo4 tetrahedra, corners with five OHo3Ge trigonal pyramids, edges with three OHo3Ge tetrahedra, and an edgeedge with one OHo3Ge trigonal pyramid. In the second O site, O is bonded to four Ho atoms to form OHo4 tetrahedra that share corners with five OHo4 tetrahedra, corners with six OHo3Ge trigonal pyramids, edges with three OHo4 tetrahedra, and edges with two equivalent OHo3Ge trigonal pyramids. In the third O site, O is bonded in a bent 150 degrees geometry to two equivalent Ho atoms. In the fourth O site, O is bonded in a 4-coordinate geometry to one Na, two equivalent Ho, and one Ge atom. In the fifth O site, O is bonded to two equivalent Na, one Ho, and one Ge atom to form distorted ONa2HoGe trigonal pyramids that share corners with four OHo4 tetrahedra, corners with five OHo3Ge trigonal pyramids, and an edgeedge with one ONa2HoGe trigonal pyramid. In the sixth O site, O is bonded to three Ho and one Ge atom to form distorted OHo3Ge tetrahedra that share corners with three OHo4 tetrahedra, corners with five OHo3Ge trigonal pyramids, edges with two equivalent OHo4 tetrahedra, and an edgeedge with one OHo3Ge trigonal pyramid.« less

Authors:
Publication Date:
Other Number(s):
mp-867968
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; NaHo4Ge2O11; Ge-Ho-Na-O
OSTI Identifier:
1312309
DOI:
https://doi.org/10.17188/1312309

Citation Formats

The Materials Project. Materials Data on NaHo4Ge2O11 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1312309.
The Materials Project. Materials Data on NaHo4Ge2O11 by Materials Project. United States. doi:https://doi.org/10.17188/1312309
The Materials Project. 2017. "Materials Data on NaHo4Ge2O11 by Materials Project". United States. doi:https://doi.org/10.17188/1312309. https://www.osti.gov/servlets/purl/1312309. Pub date:Fri Jul 21 00:00:00 EDT 2017
@article{osti_1312309,
title = {Materials Data on NaHo4Ge2O11 by Materials Project},
author = {The Materials Project},
abstractNote = {NaHo4Ge2O11 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.43–2.75 Å. There are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Ho–O bond distances ranging from 2.21–2.57 Å. In the second Ho site, Ho is bonded to seven O atoms to form distorted HoO7 pentagonal bipyramids that share a cornercorner with one HoO7 pentagonal bipyramid, corners with three equivalent GeO4 tetrahedra, edges with two equivalent HoO7 pentagonal bipyramids, and an edgeedge with one GeO4 tetrahedra. There are a spread of Ho–O bond distances ranging from 2.24–2.50 Å. Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with three equivalent HoO7 pentagonal bipyramids and an edgeedge with one HoO7 pentagonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.74–1.80 Å. There are six inequivalent O sites. In the first O site, O is bonded to three equivalent Ho and one Ge atom to form distorted OHo3Ge trigonal pyramids that share corners with seven OHo4 tetrahedra, corners with five OHo3Ge trigonal pyramids, edges with three OHo3Ge tetrahedra, and an edgeedge with one OHo3Ge trigonal pyramid. In the second O site, O is bonded to four Ho atoms to form OHo4 tetrahedra that share corners with five OHo4 tetrahedra, corners with six OHo3Ge trigonal pyramids, edges with three OHo4 tetrahedra, and edges with two equivalent OHo3Ge trigonal pyramids. In the third O site, O is bonded in a bent 150 degrees geometry to two equivalent Ho atoms. In the fourth O site, O is bonded in a 4-coordinate geometry to one Na, two equivalent Ho, and one Ge atom. In the fifth O site, O is bonded to two equivalent Na, one Ho, and one Ge atom to form distorted ONa2HoGe trigonal pyramids that share corners with four OHo4 tetrahedra, corners with five OHo3Ge trigonal pyramids, and an edgeedge with one ONa2HoGe trigonal pyramid. In the sixth O site, O is bonded to three Ho and one Ge atom to form distorted OHo3Ge tetrahedra that share corners with three OHo4 tetrahedra, corners with five OHo3Ge trigonal pyramids, edges with two equivalent OHo4 tetrahedra, and an edgeedge with one OHo3Ge trigonal pyramid.},
doi = {10.17188/1312309},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}